N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide Openeye Name: N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide CAS Name: N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(2-pyrimidinylamino)-2-naphthalenecarboxamide IUPAC Name: N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide Traditional Name: 6-amidino-N-[4-(aminomethyl)phenyl]-4-(2-pyrimidylamino)-2-naphthamide Formula: C23H21N7O MolecularWeight: 411.45914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C3C=C(C=CC3=CC(=C2)C(=O)NC4=CC=C(C=C4)CN)C(=N)N

Isomeric SMILES

C1=CN=C(N=C1)NC2=C3C=C(C=CC3=CC(=C2)C(=O)NC4=CC=C(C=C4)CN)C(=N)N

InChI

InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30)